4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile

C25H20N6O2 — CID 56591536

IUPAC4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccnc(N)c1
InChIInChI=1S/C25H20N6O2/c1-31-20-13-29-19-11-21(32-2)22(33-14-16-7-8-28-23(27)9-16)10-18(19)24(20)25(30-31)17-5-3-15(12-26)4-6-17/h3-11,13H,14H2,1-2H3,(H2,27,28)
InChIKeyPUCJFCDFFWNQRC-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.22
Rot. Bonds5

About 4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile

4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile (PubChem CID 56591536) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile
PubChem CID56591536
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccnc(N)c1
InChIInChI=1S/C25H20N6O2/c1-31-20-13-29-19-11-21(32-2)22(33-14-16-7-8-28-23(27)9-16)10-18(19)24(20)25(30-31)17-5-3-15(12-26)4-6-17/h3-11,13H,14H2,1-2H3,(H2,27,28)
InChIKeyPUCJFCDFFWNQRC-UHFFFAOYSA-N
XLogP4.22
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
The IUPAC name of 4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile (CID 56591536) is 4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile.
What is the SMILES notation for 4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
The canonical SMILES for 4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile is COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccnc(N)c1.
What is the InChIKey of 4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
The InChIKey is PUCJFCDFFWNQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-31-20-13-29-19-11-21(32-2)22(33-14-16-7-8-28-23(27)9-16)10-18(19)24(20)25(30-31)17-5-3-15(12-26)4-6-17/h3-11,13H,14H2,1-2H3,(H2,27,28).
What are the key properties of 4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile has a molecular weight of 436.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(2-amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile is sourced from PubChem (CID 56591536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).